Chemical Properties of Heptane, 3-[(ethenyloxy)methyl]- (CAS 103-44-6)

InChI

InChI=1S/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3

InChI Key

DSSAWHFZNWVJEC-UHFFFAOYSA-N

Formula

C10H20O

SMILES

C=COCC(CC)CCCC

Molecular Weight¹

156.27

CAS

103-44-6

Other Names

• (2-Ethyl-1-hexyl) vinyl ether
• 1-Ethenoxy-2-ethylhexane
• 2-Ethylhexyl vinyl ether
• Ether, 2-ethylhexyl vinyl
• Rapi-cure EHVE
• Vinyl 2-ethylhexyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5013		Relay (1.0) Calculated Property
ΔfH°gas	-276.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.04	kJ/mol	Joback Calculated Property
ΔvapH°	51.45	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	3.363		Crippen Calculated Property
McVol	153.330	ml/mol	McGowan Calculated Property
Pc	2173.43	kPa	Joback Calculated Property
Inp	[1011.00; 1038.00]
Inp	1036.00		NIST
Inp	1011.00		NIST
Inp	1026.00		NIST
Inp	1038.00		NIST
I	[1165.00; 1179.00]
I	1179.00		NIST
I	1165.00		NIST
I	1168.00		NIST
Tboil	449.48	K	Relay (1.0) Calculated Property
Tc	619.49	K	Relay (1.0) Calculated Property
Tfus	178.99	K	Relay (1.0) Calculated Property
Vc	0.545	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.90; 525.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.46250e+01
Coefficient B			8.76540e-01
Coefficient C			-4.35300e-04
Coefficient D			6.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.90	J/mol×K	273.00	Calculated Property
Cp,gas	273.34	J/mol×K	353.78	Calculated Property
Cp,gas	319.06	J/mol×K	434.56	Calculated Property
Cp,gas	360.30	J/mol×K	515.33	Calculated Property
Cp,gas	397.26	J/mol×K	596.11	Calculated Property
Cp,gas	430.18	J/mol×K	676.89	Calculated Property
Cp,gas	459.27	J/mol×K	757.67	Calculated Property
Cp,gas	484.74	J/mol×K	838.44	Calculated Property
Cp,gas	506.84	J/mol×K	919.22	Calculated Property
Cp,gas	525.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061809; 0.0002157]	Pa×s	[207.93; 431.43]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15634e+01
Coefficient B			1.34679e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			207.93
Temperature range, max.			431.43
η	0.0061809	Pa×s	207.93	Calculated Property
η	0.0030970	Pa×s	232.76	Calculated Property
η	0.0017729	Pa×s	257.60	Calculated Property
η	0.0011195	Pa×s	282.43	Calculated Property
η	0.0007615	Pa×s	307.26	Calculated Property
η	0.0005487	Pa×s	332.10	Calculated Property
η	0.0004138	Pa×s	356.93	Calculated Property
η	0.0003237	Pa×s	381.76	Calculated Property
η	0.0002610	Pa×s	406.60	Calculated Property
η	0.0002157	Pa×s	431.43	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[364.62; 486.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.72878e+01
Coefficient B			-4.92691e+03
Coefficient C			-7.48050e+01
Temperature range, min.			364.62
Temperature range, max.			486.19
Pvap	1.33	kPa	364.62	Calculated Property
Pvap	2.84	kPa	378.13	Calculated Property
Pvap	5.68	kPa	391.64	Calculated Property
Pvap	10.73	kPa	405.14	Calculated Property
Pvap	19.28	kPa	418.65	Calculated Property
Pvap	33.14	kPa	432.16	Calculated Property
Pvap	54.75	kPa	445.67	Calculated Property
Pvap	87.33	kPa	459.17	Calculated Property
Pvap	134.94	kPa	472.68	Calculated Property
Pvap	202.64	kPa	486.19	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 3-[(ethenyloxy)methyl]-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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